#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfh s PHE 2 N 0.00 2.86 -0.13 1.12 5.36 0.43 -5.01 117.98 122.61 1pfh s PHE 2 Ca 0.00 -1.58 0.01 0.00 -0.96 0.00 0.00 56.93 54.40 1pfh s PHE 2 Cb 0.00 -1.96 0.02 0.00 -0.34 0.00 0.00 43.02 40.74 1pfh s PHE 2 CO 0.00 -0.77 -0.15 -1.14 -1.46 0.00 0.00 175.22 171.70 1pfh s GLN 3 N 1.31 2.27 -0.00 10.12 -0.44 -1.26 -1.04 119.66 130.62 1pfh s GLN 3 Ca 0.04 -0.56 0.02 0.00 -2.50 0.00 0.00 55.36 52.36 1pfh s GLN 3 Cb -0.14 -2.02 -0.01 0.00 -1.64 0.00 0.00 33.01 29.21 1pfh s GLN 3 CO -0.10 -0.16 -0.08 -0.65 0.50 0.00 0.00 175.29 174.80 1pfh s GLN 4 N 1.27 0.63 -0.20 1.67 -0.21 -0.50 -5.01 119.66 117.31 1pfh s GLN 4 Ca -0.00 -0.29 -0.03 0.00 0.02 0.00 0.00 55.36 55.06 1pfh s GLN 4 Cb -0.14 -0.61 -0.01 0.00 1.00 0.00 0.00 33.01 33.26 1pfh s GLN 4 CO -0.07 0.17 -0.06 -2.00 -2.12 0.00 0.00 175.29 171.20 1pfh s GLU 5 N -0.22 3.40 -0.06 2.91 2.12 -1.26 -0.54 118.70 125.04 1pfh s GLU 5 Ca 0.03 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.75 1pfh s GLU 5 Cb -0.03 -2.91 0.01 0.00 0.26 0.00 0.00 34.13 31.46 1pfh s GLU 5 CO -0.00 -0.08 -0.12 0.14 -0.54 0.00 0.00 175.26 174.66 1pfh s VAL 6 N 1.15 1.15 -0.14 3.70 -7.23 -0.70 -4.95 120.40 113.38 1pfh s VAL 6 Ca 0.02 -0.49 -0.19 0.00 -1.81 0.00 0.00 61.98 59.51 1pfh s VAL 6 Cb -0.14 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1pfh s VAL 6 CO -0.01 0.36 0.52 -0.89 -0.31 0.00 0.00 175.10 174.76 1pfh s THR 7 N 0.63 5.14 -0.29 5.32 2.01 -1.26 -0.82 115.64 126.37 1pfh s THR 7 Ca -0.14 1.01 -0.23 0.00 0.31 0.00 0.00 61.69 62.64 1pfh s THR 7 Cb -0.16 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1pfh s THR 7 CO 0.04 0.27 0.74 -0.63 -0.69 0.00 0.00 174.62 174.34 1pfh s ILE 8 N 0.99 4.86 -0.13 1.82 1.01 -0.94 -4.92 121.20 123.90 1pfh s ILE 8 Ca 0.27 1.18 0.18 0.00 0.00 0.00 0.00 60.65 62.27 1pfh s ILE 8 Cb -0.15 -4.08 -0.22 0.00 0.01 0.00 0.00 42.46 38.01 1pfh s ILE 8 CO 0.11 -0.16 0.47 0.35 0.00 0.00 0.00 174.94 175.71 1pfh n THR 9 N 5.41 1.09 -1.92 2.92 -2.24 -1.26 -0.46 114.28 117.82 1pfh n THR 9 Ca 0.02 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 1pfh n THR 9 Cb 0.48 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1pfh n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfh s ALA 10 N -2.84 3.74 0.13 6.98 0.00 -1.26 -4.84 121.76 123.68 1pfh s ALA 10 Ca -0.07 1.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 1pfh s ALA 10 Cb 0.09 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1pfh s ALA 10 CO 0.84 -0.92 1.67 -1.35 0.00 0.00 0.00 175.76 175.99 1pfh h PRO 11 N 7.45 -0.19 0.02 0.00 0.11 -1.93 -3.17 132.00 134.29 1pfh h PRO 11 Ca -0.43 0.01 -0.37 0.00 0.11 0.00 0.00 66.00 65.32 1pfh h PRO 11 Cb 1.20 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1pfh h PRO 11 CO 0.92 -0.13 -2.11 0.27 -0.21 0.00 0.00 178.00 176.74 1pfh n ASN 12 N -5.30 1.96 0.00 -2.05 0.23 -1.26 -2.89 115.26 105.95 1pfh n ASN 12 Ca -0.03 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 1pfh n ASN 12 Cb 0.22 -0.78 0.00 0.00 -2.08 0.00 0.00 39.78 37.14 1pfh n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfh n GLY 13 N 1.62 1.40 3.87 4.83 0.00 -1.24 -4.48 105.19 111.18 1pfh n GLY 13 Ca -0.44 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1pfh n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfh s LEU 14 N 0.00 3.75 0.15 0.99 1.43 -1.22 -4.74 118.68 119.05 1pfh s LEU 14 Ca 0.00 1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 54.18 1pfh s LEU 14 Cb 0.00 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 42.09 1pfh s LEU 14 CO 0.00 -0.47 1.76 0.71 0.23 0.00 0.00 176.35 178.58 1pfh h THR 16 N 0.99 0.94 -0.05 5.49 1.35 -1.91 0.24 112.91 119.95 1pfh h THR 16 Ca -0.47 -0.09 -0.13 0.00 -0.55 0.00 0.00 66.41 65.16 1pfh h THR 16 Cb 1.19 0.64 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1pfh h THR 16 CO 0.63 0.05 -0.48 0.03 -0.25 0.00 0.00 175.52 175.50 1pfh h ARG 17 N 0.27 0.42 -0.69 4.72 2.47 -1.96 -2.41 114.38 117.20 1pfh h ARG 17 Ca 0.14 -0.38 -0.06 0.00 -1.26 0.00 0.00 59.98 58.42 1pfh h ARG 17 Cb 0.09 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 1pfh h ARG 17 CO -0.13 1.03 0.19 -1.35 0.56 0.00 0.00 179.97 180.28 1pfh h PRO 18 N -0.06 1.09 -0.98 0.04 0.11 -1.84 -2.92 132.00 127.44 1pfh h PRO 18 Ca -0.05 -0.25 0.21 0.00 0.11 0.00 0.00 66.00 66.02 1pfh h PRO 18 Cb 1.16 -0.15 -0.09 0.00 0.11 0.00 0.00 31.00 32.03 1pfh h PRO 18 CO 0.10 0.95 0.62 0.00 -0.21 0.00 0.00 178.00 179.46 1pfh h ALA 19 N 1.09 1.96 -0.91 -0.75 0.00 -0.57 -0.93 119.26 119.15 1pfh h ALA 19 Ca 0.22 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1pfh h ALA 19 Cb 0.34 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1pfh h ALA 19 CO -0.00 -0.30 0.59 0.00 0.00 0.00 0.00 179.25 179.54 1pfh h ALA 20 N 1.63 1.49 0.00 0.00 0.00 -1.23 -0.02 119.26 121.13 1pfh h ALA 20 Ca 0.54 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.25 1pfh h ALA 20 Cb 1.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1pfh h ALA 20 CO -0.29 0.38 -0.87 1.96 0.00 0.00 0.00 179.25 180.43 1pfh h GLN 21 N 1.06 0.00 -0.78 0.00 7.50 -1.27 -2.28 115.11 119.33 1pfh h GLN 21 Ca 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.51 1pfh h GLN 21 Cb 0.16 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.65 1pfh h GLN 21 CO -0.14 0.79 0.39 0.35 -1.50 0.00 0.00 178.83 178.72 1pfh h PHE 22 N 0.00 1.11 -0.18 2.96 3.04 -0.79 -1.04 116.94 122.03 1pfh h PHE 22 Ca -0.02 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.88 1pfh h PHE 22 Cb 1.64 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.80 1pfh h PHE 22 CO 0.00 0.79 0.11 0.28 -2.02 0.00 0.00 178.31 177.48 1pfh h VAL 23 N 1.11 1.07 -0.60 1.41 2.07 -0.98 0.14 116.25 120.47 1pfh h VAL 23 Ca 0.27 -0.16 0.12 0.00 0.82 0.00 0.00 66.70 67.74 1pfh h VAL 23 Cb 0.09 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 1pfh h VAL 23 CO -0.04 0.07 0.11 0.50 0.02 0.00 0.00 177.57 178.23 1pfh h LYS 24 N 0.22 0.23 0.59 1.57 3.64 -0.84 0.87 116.57 122.86 1pfh h LYS 24 Ca 0.07 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1pfh h LYS 24 Cb 0.01 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1pfh h LYS 24 CO -0.01 0.15 -0.28 1.49 -2.27 0.00 0.00 179.45 178.53 1pfh h GLU 25 N 0.24 -0.76 -0.96 1.90 4.57 -1.04 -3.26 114.58 115.26 1pfh h GLU 25 Ca 0.32 0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.70 1pfh h GLU 25 Cb 0.48 0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 29.15 1pfh h GLU 25 CO -0.42 -0.48 0.57 0.00 -1.18 0.00 0.00 179.01 177.50 1pfh h ALA 26 N -0.50 1.50 -0.16 2.92 0.00 -0.67 -0.74 119.26 121.61 1pfh h ALA 26 Ca -0.08 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1pfh h ALA 26 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pfh h ALA 26 CO 0.13 0.05 0.14 0.87 0.00 0.00 0.00 179.25 180.44 1pfh h LYS 27 N 0.82 0.00 -0.35 0.00 1.57 -0.87 -2.85 116.57 114.89 1pfh h LYS 27 Ca 0.52 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1pfh h LYS 27 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1pfh h LYS 27 CO -0.33 0.00 0.22 0.78 -0.57 0.00 0.00 179.45 179.55 1pfh h GLY 28 N 0.00 0.50 -3.12 3.86 0.00 -1.20 -3.45 103.07 99.66 1pfh h GLY 28 Ca 0.08 -0.21 -0.51 0.00 0.00 0.00 0.00 47.33 46.69 1pfh h GLY 28 CO -0.00 0.20 0.53 -1.36 0.00 0.00 0.00 176.54 175.90 1pfh s PHE 29 N -6.04 2.97 0.07 5.60 0.08 -1.08 -4.98 117.98 114.61 1pfh s PHE 29 Ca -0.13 1.52 -0.19 0.00 0.12 0.00 0.00 56.93 58.25 1pfh s PHE 29 Cb 0.10 -3.46 -0.10 0.00 -0.57 0.00 0.00 43.02 38.99 1pfh s PHE 29 CO 0.72 -1.55 1.45 1.79 -0.10 0.00 0.00 175.22 177.53 1pfh h THR 30 N 2.27 1.29 -3.63 0.64 1.35 -1.87 -3.44 112.91 109.52 1pfh h THR 30 Ca -0.49 -1.09 -0.46 0.00 -0.55 0.00 0.00 66.41 63.82 1pfh h THR 30 Cb 1.24 1.55 0.19 0.00 -1.73 0.00 0.00 68.15 69.40 1pfh h THR 30 CO 0.62 0.33 0.10 -0.94 -0.25 0.00 0.00 175.52 175.39 1pfh s SER 31 N -6.06 1.83 -0.29 5.36 1.04 -1.26 -5.03 113.70 109.30 1pfh s SER 31 Ca -0.14 1.60 -0.02 0.00 0.48 0.00 0.00 55.95 57.87 1pfh s SER 31 Cb 0.07 -2.29 0.04 0.00 0.10 0.00 0.00 66.02 63.94 1pfh s SER 31 CO 0.76 -3.68 -0.00 -0.70 0.98 0.00 0.00 173.24 170.59 1pfh s GLU 32 N -4.61 2.59 -0.51 4.02 2.12 -1.26 -5.00 118.70 116.04 1pfh s GLU 32 Ca 0.67 -1.16 -0.27 0.00 0.36 0.00 0.00 54.97 54.57 1pfh s GLU 32 Cb -0.23 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 1pfh s GLU 32 CO 0.62 -0.56 1.82 0.42 -0.54 0.00 0.00 175.26 177.02 1pfh s ILE 33 N 1.30 3.43 -0.29 -3.70 -1.09 -1.26 -4.40 121.20 115.19 1pfh s ILE 33 Ca -0.03 0.34 -0.22 0.00 -2.23 0.00 0.00 60.65 58.51 1pfh s ILE 33 Cb -0.19 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1pfh s ILE 33 CO -0.01 -0.73 0.71 0.42 -1.23 0.00 0.00 174.94 174.09 1pfh s THR 34 N 8.19 4.89 -0.68 2.92 -4.23 -0.21 -0.65 115.64 125.86 1pfh s THR 34 Ca 0.71 1.11 -0.10 0.00 -1.18 0.00 0.00 61.69 62.24 1pfh s THR 34 Cb -0.16 -4.05 0.18 0.00 1.34 0.00 0.00 72.50 69.81 1pfh s THR 34 CO 0.26 -0.13 0.57 -0.69 -0.54 0.00 0.00 174.62 174.09 1pfh s VAL 35 N 2.73 4.71 -0.13 2.29 1.01 0.36 -1.18 120.40 130.19 1pfh s VAL 35 Ca 0.29 -2.47 -0.28 0.00 0.00 0.00 0.00 61.98 59.52 1pfh s VAL 35 Cb -0.15 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1pfh s VAL 35 CO 0.11 -0.93 0.94 -0.89 0.00 0.00 0.00 175.10 174.33 1pfh s THR 36 N 0.37 4.82 -0.25 3.92 2.01 -1.10 -0.91 115.64 124.49 1pfh s THR 36 Ca 0.15 1.90 -0.00 0.00 0.31 0.00 0.00 61.69 64.04 1pfh s THR 36 Cb -0.17 -4.25 0.07 0.00 0.01 0.00 0.00 72.50 68.16 1pfh s THR 36 CO -0.05 0.02 0.01 -0.55 -0.69 0.00 0.00 174.62 173.36 1pfh s SER 37 N 1.10 3.77 -0.23 3.53 0.15 0.35 -1.43 113.70 120.95 1pfh s SER 37 Ca 0.45 -1.30 -0.21 0.00 0.70 0.00 0.00 55.95 55.59 1pfh s SER 37 Cb -0.18 -1.01 0.03 0.00 -1.71 0.00 0.00 66.02 63.15 1pfh s SER 37 CO 0.16 -0.31 0.34 -0.46 1.20 0.00 0.00 173.24 174.17 1pfh n ASN 38 N 4.76 -4.50 0.00 5.45 0.23 -1.26 -2.61 115.26 117.33 1pfh n ASN 38 Ca -0.07 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 1pfh n ASN 38 Cb 0.44 -1.22 0.00 0.00 -2.08 0.00 0.00 39.78 36.92 1pfh n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfh n GLY 39 N 0.28 1.61 3.65 4.83 0.00 -1.26 -4.93 105.19 109.37 1pfh n GLY 39 Ca -0.05 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1pfh n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfh s LYS 40 N 0.00 4.01 -0.34 1.61 1.02 -1.07 -4.99 119.74 119.98 1pfh s LYS 40 Ca 0.00 1.88 -0.05 0.00 0.02 0.00 0.00 55.97 57.83 1pfh s LYS 40 Cb 0.00 -3.98 0.05 0.00 -0.52 0.00 0.00 37.83 33.38 1pfh s LYS 40 CO 0.00 -1.04 0.09 0.45 -0.92 0.00 0.00 175.35 173.93 1pfh s SER 41 N 3.59 5.20 -0.25 2.83 0.15 -1.26 -0.50 113.70 123.46 1pfh s SER 41 Ca 0.70 -1.27 -0.05 0.00 0.70 0.00 0.00 55.95 56.03 1pfh s SER 41 Cb -0.28 -1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 62.20 1pfh s SER 41 CO 0.27 -0.33 0.02 0.00 1.20 0.00 0.00 173.24 174.40 1pfh s ALA 42 N 1.34 2.97 -0.22 5.45 0.00 -0.09 -4.92 121.76 126.30 1pfh s ALA 42 Ca -0.02 -1.23 -0.31 0.00 0.00 0.00 0.00 51.96 50.40 1pfh s ALA 42 Cb -0.20 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.92 1pfh s ALA 42 CO 0.01 -0.58 2.16 0.45 0.00 0.00 0.00 175.76 177.80 1pfh n SER 43 N 4.85 3.06 0.29 0.00 2.88 -1.26 -0.49 113.62 122.94 1pfh n SER 43 Ca -0.17 0.39 0.15 0.00 -1.33 0.00 0.00 58.87 57.91 1pfh n SER 43 Cb 0.50 -1.46 0.87 0.00 -0.75 0.00 0.00 64.21 63.37 1pfh n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pfh h ALA 44 N 13.44 1.35 0.00 -1.46 0.00 -1.24 -1.72 119.26 129.64 1pfh h ALA 44 Ca -0.39 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1pfh h ALA 44 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1pfh h ALA 44 CO 0.97 0.06 -0.36 -0.22 0.00 0.00 0.00 179.25 179.70 1pfh h LYS 45 N 0.00 0.00 -4.73 0.00 3.64 -1.88 -3.39 116.57 110.21 1pfh h LYS 45 Ca -0.00 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.68 1pfh h LYS 45 Cb 0.15 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 31.77 1pfh h LYS 45 CO 0.01 0.36 0.03 0.45 -2.27 0.00 0.00 179.45 178.03 1pfh s SER 46 N -6.51 6.20 0.16 4.20 0.15 -0.65 -4.86 113.70 112.38 1pfh s SER 46 Ca -0.01 -1.24 -0.30 0.00 0.70 0.00 0.00 55.95 55.10 1pfh s SER 46 Cb 0.12 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 62.09 1pfh s SER 46 CO 0.68 -0.97 1.50 -0.11 1.20 0.00 0.00 173.24 175.54 1pfh n LEU 47 N 6.11 -1.02 0.07 3.45 7.94 -1.26 -1.56 117.00 130.72 1pfh n LEU 47 Ca -0.09 1.73 -0.01 0.00 -1.11 0.00 0.00 56.01 56.53 1pfh n LEU 47 Cb 0.44 -0.23 0.28 0.00 0.53 0.00 0.00 43.42 44.44 1pfh n LEU 47 CO 0.55 -1.41 0.79 -0.26 -1.11 0.00 0.00 177.39 175.95 1pfh h PHE 48 N 0.00 0.37 -0.31 1.96 0.04 -1.94 -1.97 116.94 115.10 1pfh h PHE 48 Ca 0.16 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 1pfh h PHE 48 Cb 0.40 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1pfh h PHE 48 CO -1.00 0.54 -0.05 0.87 -0.60 0.00 0.00 178.31 178.08 1pfh h LYS 49 N 0.31 0.58 -0.26 1.51 1.79 -1.57 -1.80 116.57 117.13 1pfh h LYS 49 Ca 0.05 -0.21 -0.05 0.00 -2.18 0.00 0.00 60.65 58.26 1pfh h LYS 49 Cb 0.57 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1pfh h LYS 49 CO 0.04 0.75 -0.04 1.25 -1.08 0.00 0.00 179.45 180.38 1pfh h LEU 50 N 0.35 0.48 -1.95 2.94 5.85 -1.21 -3.01 115.31 118.77 1pfh h LEU 50 Ca 0.08 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1pfh h LEU 50 Cb 0.53 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1pfh h LEU 50 CO 0.03 0.71 0.21 1.56 -0.34 0.00 0.00 178.44 180.60 1pfh h GLN 51 N 0.24 0.06 -0.02 1.25 4.20 -1.21 -1.26 115.11 118.37 1pfh h GLN 51 Ca 0.07 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1pfh h GLN 51 Cb 0.48 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1pfh h GLN 51 CO 0.02 0.04 -0.00 -2.37 -0.67 0.00 0.00 178.83 175.85 1pfh n THR 52 N -4.46 0.00 -0.21 -0.54 5.66 -0.69 -4.60 114.28 109.44 1pfh n THR 52 Ca 0.04 -0.35 -0.08 0.00 -3.05 0.00 0.00 64.05 60.60 1pfh n THR 52 Cb 0.33 0.91 0.03 0.00 -1.55 0.00 0.00 70.33 70.04 1pfh n THR 52 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pfh h LEU 53 N 3.31 0.90 -0.27 1.09 5.85 -1.09 -3.48 115.31 121.62 1pfh h LEU 53 Ca 0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1pfh h LEU 53 Cb 0.70 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1pfh h LEU 53 CO 0.00 0.89 0.00 0.61 -0.34 0.00 0.00 178.44 179.60 1pfh n GLY 54 N -0.65 -0.12 2.88 3.75 0.00 -1.26 -5.04 105.19 104.76 1pfh n GLY 54 Ca 0.03 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1pfh n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pfh n LEU 55 N -0.01 3.85 -4.35 0.99 4.77 -1.26 -4.89 117.00 116.10 1pfh n LEU 55 Ca 0.00 -5.24 -0.18 0.00 -0.03 0.00 0.00 56.01 50.57 1pfh n LEU 55 Cb 0.00 -0.90 -0.10 0.00 -2.33 0.00 0.00 43.42 40.09 1pfh n LEU 55 CO 0.00 1.75 -0.29 0.28 -1.33 0.00 0.00 177.39 177.81 1pfh s THR 56 N -1.76 0.85 -0.35 -5.08 -1.32 -1.26 -3.39 115.64 103.33 1pfh s THR 56 Ca 0.30 -2.01 -0.29 0.00 -1.21 0.00 0.00 61.69 58.48 1pfh s THR 56 Cb -0.00 -2.55 -0.07 0.00 -1.51 0.00 0.00 72.50 68.36 1pfh s THR 56 CO -0.10 -0.13 2.30 1.67 -2.21 0.00 0.00 174.62 176.14 1pfh n GLN 57 N -0.49 1.45 0.00 7.08 7.27 -1.14 -1.28 117.38 130.28 1pfh n GLN 57 Ca -0.02 0.31 0.00 0.00 0.07 0.00 0.00 57.00 57.35 1pfh n GLN 57 Cb 0.65 -3.10 0.00 0.00 2.41 0.00 0.00 30.24 30.21 1pfh n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pfh n GLY 58 N 6.02 2.79 3.68 1.69 0.00 0.39 -5.02 105.19 114.74 1pfh n GLY 58 Ca 0.36 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1pfh n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pfh s THR 59 N -0.16 3.17 -0.40 2.61 -4.23 -0.40 -4.52 115.64 111.72 1pfh s THR 59 Ca 0.00 0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 60.81 1pfh s THR 59 Cb 0.00 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1pfh s THR 59 CO 0.00 -0.02 0.38 -0.69 -0.54 0.00 0.00 174.62 173.75 1pfh s VAL 60 N 3.32 5.16 -0.29 2.29 1.01 -1.26 -2.21 120.40 128.42 1pfh s VAL 60 Ca 0.76 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 1pfh s VAL 60 Cb -0.39 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 1pfh s VAL 60 CO 0.33 -0.31 0.11 0.68 0.00 0.00 0.00 175.10 175.91 1pfh s VAL 61 N 1.97 4.41 -0.86 2.92 -7.23 -0.00 -4.60 120.40 117.01 1pfh s VAL 61 Ca 0.10 -0.37 -0.21 0.00 -1.81 0.00 0.00 61.98 59.68 1pfh s VAL 61 Cb -0.17 -3.19 0.09 0.00 0.56 0.00 0.00 36.38 33.67 1pfh s VAL 61 CO 0.12 0.17 1.16 -0.89 -0.31 0.00 0.00 175.10 175.35 1pfh s THR 62 N 1.60 4.36 -0.67 5.32 2.01 -0.51 -1.72 115.64 126.03 1pfh s THR 62 Ca 0.05 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 60.88 1pfh s THR 62 Cb -0.16 -4.82 0.03 0.00 0.01 0.00 0.00 72.50 67.55 1pfh s THR 62 CO 0.05 -1.62 1.23 -0.63 -0.69 0.00 0.00 174.62 172.97 1pfh s ILE 63 N 3.82 3.87 -0.06 1.82 1.01 0.30 -2.73 121.20 129.22 1pfh s ILE 63 Ca 0.33 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.65 1pfh s ILE 63 Cb -0.07 -4.83 -0.01 0.00 0.01 0.00 0.00 42.46 37.56 1pfh s ILE 63 CO -0.02 -1.62 -0.23 -0.44 0.00 0.00 0.00 174.94 172.63 1pfh s SER 64 N 3.38 2.87 0.02 3.58 0.01 -0.33 -1.42 113.70 121.82 1pfh s SER 64 Ca 0.38 -0.49 -0.09 0.00 1.31 0.00 0.00 55.95 57.07 1pfh s SER 64 Cb -0.08 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.24 1pfh s SER 64 CO 0.20 0.21 0.17 0.00 0.41 0.00 0.00 173.24 174.22 1pfh s ALA 65 N -0.00 -0.36 -0.02 1.44 0.00 -0.21 -1.05 121.76 121.56 1pfh s ALA 65 Ca -0.07 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1pfh s ALA 65 Cb -0.14 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1pfh s ALA 65 CO 0.04 -0.28 -0.02 -2.00 0.00 0.00 0.00 175.76 173.51 1pfh s GLU 66 N -1.96 0.35 0.00 0.00 2.12 -1.26 -0.43 118.70 117.53 1pfh s GLU 66 Ca -0.10 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.22 1pfh s GLU 66 Cb -0.04 -0.45 0.00 0.00 0.26 0.00 0.00 34.13 33.90 1pfh s GLU 66 CO -0.01 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 1pfh n GLY 67 N 3.74 0.92 0.24 -1.50 0.00 -1.26 -4.51 105.19 102.81 1pfh n GLY 67 Ca -0.22 -1.92 0.01 0.00 0.00 0.00 0.00 46.02 43.89 1pfh n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pfh h GLU 68 N 0.00 0.17 -0.60 1.61 4.39 -2.00 -1.11 114.58 117.04 1pfh h GLU 68 Ca 0.00 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 1pfh h GLU 68 Cb 0.00 -0.04 -0.20 0.00 -0.10 0.00 0.00 28.75 28.42 1pfh h GLU 68 CO 0.00 0.11 0.15 -0.40 -1.16 0.00 0.00 179.01 177.71 1pfh n ASP 69 N -5.22 3.30 -0.08 1.42 5.68 -1.26 -4.78 116.55 115.62 1pfh n ASP 69 Ca 0.09 -3.75 -0.07 0.00 -0.50 0.00 0.00 54.79 50.57 1pfh n ASP 69 Cb 0.35 -0.70 -0.01 0.00 -1.14 0.00 0.00 41.12 39.62 1pfh n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1pfh h GLU 70 N 1.13 -0.17 -0.20 0.11 4.11 -1.49 0.19 114.58 118.25 1pfh h GLU 70 Ca 0.38 0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.67 1pfh h GLU 70 Cb 1.94 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1pfh h GLU 70 CO 0.70 -0.11 -0.47 -0.56 0.07 0.00 0.00 179.01 178.63 1pfh h GLN 71 N -0.18 0.68 -0.16 1.06 -0.00 -1.86 -3.05 115.11 111.60 1pfh h GLN 71 Ca 0.16 -0.46 -0.03 0.00 -0.00 0.00 0.00 58.65 58.32 1pfh h GLN 71 Cb 0.42 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.96 1pfh h GLN 71 CO -0.41 1.08 -0.01 0.87 -0.00 0.00 0.00 178.83 180.35 1pfh h LYS 72 N 0.38 0.28 -0.26 0.06 1.57 -1.70 -0.90 116.57 115.99 1pfh h LYS 72 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1pfh h LYS 72 Cb 1.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1pfh h LYS 72 CO 0.10 0.53 0.17 0.00 -0.57 0.00 0.00 179.45 179.68 1pfh h ALA 73 N 0.75 0.33 -0.19 3.86 0.00 -0.74 -1.41 119.26 121.86 1pfh h ALA 73 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1pfh h ALA 73 Cb 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pfh h ALA 73 CO 0.01 -0.19 -0.12 0.28 0.00 0.00 0.00 179.25 179.23 1pfh h VAL 74 N 0.34 1.32 -0.41 0.00 2.07 -1.40 0.27 116.25 118.45 1pfh h VAL 74 Ca 0.09 -1.23 0.08 0.00 0.82 0.00 0.00 66.70 66.47 1pfh h VAL 74 Cb -0.02 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1pfh h VAL 74 CO -0.02 0.37 -0.08 -0.08 0.02 0.00 0.00 177.57 177.78 1pfh h GLU 75 N 0.09 0.02 0.72 1.57 4.81 -1.06 -0.24 114.58 120.48 1pfh h GLU 75 Ca 0.04 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1pfh h GLU 75 Cb 0.63 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.01 1pfh h GLU 75 CO 0.03 0.01 -0.34 1.25 -0.73 0.00 0.00 179.01 179.23 1pfh h HIS 76 N 0.02 -0.89 0.00 0.92 2.76 -1.15 -2.62 115.15 114.19 1pfh h HIS 76 Ca 0.20 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1pfh h HIS 76 Cb 0.30 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1pfh h HIS 76 CO -0.34 -0.53 -0.23 -0.07 -1.30 0.00 0.00 177.93 175.45 1pfh h LEU 77 N -1.10 0.00 0.41 0.26 3.38 -0.68 0.85 115.31 118.43 1pfh h LEU 77 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1pfh h LEU 77 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1pfh h LEU 77 CO 0.16 0.23 -0.20 0.58 0.09 0.00 0.00 178.44 179.31 1pfh h VAL 78 N 0.00 0.59 -0.43 1.22 2.07 -1.09 -2.09 116.25 116.52 1pfh h VAL 78 Ca -0.00 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1pfh h VAL 78 Cb 0.42 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1pfh h VAL 78 CO 0.03 0.05 0.16 0.11 0.02 0.00 0.00 177.57 177.94 1pfh h LYS 79 N -0.71 0.32 0.01 1.57 1.57 -0.99 -1.42 116.57 116.92 1pfh h LYS 79 Ca -0.06 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1pfh h LYS 79 Cb 0.51 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1pfh h LYS 79 CO 0.09 0.21 -0.36 1.25 -0.57 0.00 0.00 179.45 180.08 1pfh h LEU 80 N 0.33 -1.07 -0.74 2.94 5.85 -0.90 -1.61 115.31 120.10 1pfh h LEU 80 Ca 0.20 0.13 0.11 0.00 0.84 0.00 0.00 57.88 59.16 1pfh h LEU 80 Cb 0.18 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1pfh h LEU 80 CO -0.19 -0.42 0.37 -0.03 -0.34 0.00 0.00 178.44 177.83 1pfh h MET 81 N -0.52 0.58 -0.33 1.25 4.05 -1.11 -2.50 114.93 116.35 1pfh h MET 81 Ca 0.05 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 1pfh h MET 81 Cb 0.60 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1pfh h MET 81 CO -0.28 0.39 -0.17 0.00 0.23 0.00 0.00 176.91 177.08 1pfh h ALA 82 N 1.46 1.09 0.00 0.39 0.00 -0.37 -3.27 119.26 118.57 1pfh h ALA 82 Ca 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1pfh h ALA 82 Cb 0.44 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pfh h ALA 82 CO -0.30 0.56 -0.39 0.93 0.00 0.00 0.00 179.25 180.05 1pfh h GLU 83 N 0.54 0.00 -7.26 0.00 5.08 -0.86 -3.49 114.58 108.59 1pfh h GLU 83 Ca 0.09 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.93 1pfh h GLU 83 Cb 0.60 0.00 0.18 0.00 0.50 0.00 0.00 28.75 30.03 1pfh h GLU 83 CO 0.04 0.09 0.28 -0.51 -1.00 0.00 0.00 179.01 177.90 1pfh s LEU 84 N -6.02 2.98 0.00 1.33 1.43 -1.19 -5.13 118.68 112.08 1pfh s LEU 84 Ca 0.04 2.16 0.13 0.00 -1.03 0.00 0.00 54.13 55.43 1pfh s LEU 84 Cb 0.07 -4.56 0.76 0.00 0.03 0.00 0.00 46.19 42.48 1pfh s LEU 84 CO 0.72 -2.74 1.19 -0.62 0.23 0.00 0.00 176.35 175.13